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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrrol-1-yl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrol-1-yl-benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrol-1-ylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrol-1-yl-benzamide Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c27-23(20-8-10-22(11-9-20)26-14-4-5-15-26)24-21-12-16-25(17-13-21)18-19-6-2-1-3-7-19/h1-11,14-15,21H,12-13,16-18H2,(H,24,27)/p+1