(4-acetamidophenyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS/c1-15(26)23-17-10-8-16(9-11-17)13-22-18-5-4-12-25(14-18)21-24-19-6-2-3-7-20(19)27-21/h2-3,6-11,18,22H,4-5,12-14H2,1H3,(H,23,26)/p+1/t18-/m0/s1