7-methoxy-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 7-methoxy-4-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-7-methoxy-4-methyl-quinolin-1-ium CAS Name: 7-methoxy-4-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-7-methoxy-4-methylquinolin-1-ium Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-7-methoxy-4-methyl-quinolin-1-ium Formula: C22H27N3O+2 MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-17-14-22(23-21-15-19(26-2)8-9-20(17)21)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3/p+2