2-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-pyrrol-1-yl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-pyrrol-1-yl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-pyrrol-1-yl-benzamide CAS Name: 2-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-(1-pyrrolyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-pyrrol-1-ylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-pyrrol-1-yl-benzamide Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)N3C=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)N3C=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O/c24-22-9-8-20(27-12-4-5-13-27)16-21(22)23(28)25-19-10-14-26(15-11-19)17-18-6-2-1-3-7-18/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,25,28)/p+1