4-azanyl-1-phenyl-5-(phenylcarbonyl)-2-(piperidin-1-ium-1-ylmethyl)pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-1-phenyl-5-(phenylcarbonyl)-2-(piperidin-1-ium-1-ylmethyl)pyrrole-3-carbonitrile Openeye Name: 4-amino-5-benzoyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)pyrrole-3-carbonitrile CAS Name: 4-amino-5-benzoyl-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 4-amino-5-benzoyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)pyrrole-3-carbonitrile Traditional Name: 4-amino-5-benzoyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)pyrrole-3-carbonitrile Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C(=C(N2C3=CC=CC=C3)C(=O)C4=CC=CC=C4)N)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C(=C(N2C3=CC=CC=C3)C(=O)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C24H24N4O/c25-16-20-21(17-27-14-8-3-9-15-27)28(19-12-6-2-7-13-19)23(22(20)26)24(29)18-10-4-1-5-11-18/h1-2,4-7,10-13H,3,8-9,14-15,17,26H2/p+1