[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-isopropoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-propan-2-yloxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-isopropoxyphenyl)methanone Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-21(2)31-25-15-9-14-24(20-25)27(30)29-18-16-28(17-19-29)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20-21,26H,16-19H2,1-2H3/p+1