[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C30H35N4O3+ MolecularWeight: 499.6239

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H34N4O3/c35-30(26-15-16-27(28(23-26)34(36)37)31-17-9-1-2-10-18-31)33-21-19-32(20-22-33)29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-16,23,29H,1-2,9-10,17-22H2/p+1