[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pyrrolidinopyridin-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)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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