(4-methyl-1,3-thiazol-2-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (4-methyl-1,3-thiazol-2-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (4-methylthiazol-2-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (4-methyl-2-thiazolyl)methyl-[1-[4-[(1-oxo-5-phenylpentyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (4-methyl-1,3-thiazol-2-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (4-methylthiazol-2-yl)methyl-[1-[4-(5-phenylpentanoylamino)phenyl]-4-piperidyl]ammonium Formula: C27H35N4OS+ MolecularWeight: 463.658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4OS/c1-21-20-33-27(29-21)19-28-23-15-17-31(18-16-23)25-13-11-24(12-14-25)30-26(32)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-14,20,23,28H,5-6,9-10,15-19H2,1H3,(H,30,32)/p+1