[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-(4-pyrrolidin-1-ylphenyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-(4-pyrrolidin-1-ylphenyl)azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-(4-pyrrolidin-1-ylphenyl)ammonium CAS Name: [(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-[4-(1-pyrrolidinyl)phenyl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-(4-pyrrolidin-1-ylphenyl)azanium Traditional Name: [(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-(4-pyrrolidinophenyl)ammonium Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C24H32N4O/c1-20(25-22-9-11-23(12-10-22)27-13-5-6-14-27)24(29)28-17-15-26(16-18-28)19-21-7-3-2-4-8-21/h2-4,7-12,20,25H,5-6,13-19H2,1H3/p+1/t20-/m0/s1