[4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]phenyl]-pyrrolidino-methanone Formula: C29H34N3O+ MolecularWeight: 440.59976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O/c33-29(32-17-7-8-18-32)27-15-13-24(14-16-27)23-30-19-21-31(22-20-30)28(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-16,28H,7-8,17-23H2/p+1