4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-quinolin-1-ium

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-quinolin-1-ium Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-2-methyl-quinolin-1-ium CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-2-methylquinolin-1-ium IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-2-methylquinolin-1-ium Traditional Name: 4-(4-benzhydrylpiperazino)-2-methyl-quinolin-1-ium Formula: C27H28N3+ MolecularWeight: 394.53132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3/c1-21-20-26(24-14-8-9-15-25(24)28-21)29-16-18-30(19-17-29)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20,27H,16-19H2,1H3/p+1