4-azanyl-1-phenyl-5-(phenylcarbonyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-1-phenyl-5-(phenylcarbonyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrole-3-carbonitrile Openeye Name: 4-amino-5-benzoyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-phenyl-pyrrole-3-carbonitrile CAS Name: 4-amino-5-benzoyl-1-phenyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 4-amino-5-benzoyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-phenylpyrrole-3-carbonitrile Traditional Name: 4-amino-5-benzoyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-phenyl-pyrrole-3-carbonitrile Formula: C31H31N4O+ MolecularWeight: 475.60404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C(=C(N3C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N)C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C(=C(N3C4=CC=CC=C4)C(=O)C5=CC=CC=C5)N)C#N

InChI

InChI=1S/C31H30N4O/c32-21-27-28(22-34-18-16-24(17-19-34)20-23-10-4-1-5-11-23)35(26-14-8-3-9-15-26)30(29(27)33)31(36)25-12-6-2-7-13-25/h1-15,24H,16-20,22,33H2/p+1