[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-propoxyphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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