(6-phenyl-2-pyrrolidin-1-yl-pyridin-3-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: (6-phenyl-2-pyrrolidin-1-yl-pyridin-3-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: (6-phenyl-2-pyrrolidin-1-yl-3-pyridyl)-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [6-phenyl-2-(1-pyrrolidinyl)-3-pyridinyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (6-phenyl-2-pyrrolidin-1-ylpyridin-3-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: (6-phenyl-2-pyrrolidino-3-pyridyl)-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C26H34N4O/c31-26(30-19-13-22(14-20-30)28-15-5-2-6-16-28)23-11-12-24(21-9-3-1-4-10-21)27-25(23)29-17-7-8-18-29/h1,3-4,9-12,22H,2,5-8,13-20H2/p+1