[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl-diethyl-azanium

Systemtic Name: [4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl-diethyl-azanium Openeye Name: [4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl-diethylazanium Traditional Name: [4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzyl]-diethyl-ammonium Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3OS/c1-3-26(4-2)17-18-9-11-20(12-10-18)24(28)27-15-13-19(14-16-27)23-25-21-7-5-6-8-22(21)29-23/h5-12,19H,3-4,13-17H2,1-2H3/p+1