3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propyl-trimethyl-azanium Openeye Name: 3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]amino]propyl-trimethyl-ammonium CAS Name: 3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propyl-trimethylammonium IUPAC Name: 3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propyl-trimethylazanium Traditional Name: 3-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]amino]propyl-trimethyl-ammonium Formula: C24H41Cl2N4O3+ MolecularWeight: 504.51334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NCCC[N+](C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NCCC[N+](C)(C)C

InChI

InChI=1S/C24H40Cl2N4O3/c1-24(2,3)33-23(32)28-21(22(31)27-14-7-17-30(4,5)6)18-19-8-10-20(11-9-19)29(15-12-25)16-13-26/h8-11,21H,7,12-18H2,1-6H3,(H-,27,28,31,32)/p+1/t21-/m0/s1