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

Systemtic Name: (3-azanyl-4-methyl-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-amino-4-methyl-phenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone CAS Name: (3-amino-4-methylphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-amino-4-methylphenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-amino-4-methyl-phenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H27N3O/c1-19-12-13-22(18-23(19)26)25(29)28-16-14-27(15-17-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17,26H2,1H3/p+1