[4-(phenylmethyl)piperazin-4-ium-1-yl]-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[6-phenyl-2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidino-pyridin-1-ium-3-yl)methanone Formula: C27H32N4O+2 MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27(31-19-17-29(18-20-31)21-22-9-3-1-4-10-22)24-13-14-25(23-11-5-2-6-12-23)28-26(24)30-15-7-8-16-30/h1-6,9-14H,7-8,15-21H2/p+2