[4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenyl]-(4-phenylpiperazino)methanone Formula: C30H36N3O+ MolecularWeight: 454.62634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O/c34-30(33-21-19-32(20-22-33)29-9-5-2-6-10-29)28-13-11-27(12-14-28)24-31-17-15-26(16-18-31)23-25-7-3-1-4-8-25/h1-14,26H,15-24H2/p+1