4-methyl-2-[1-(phenylmethyl)piperazin-1-ium-1-yl]-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 4-methyl-2-[1-(phenylmethyl)piperazin-1-ium-1-yl]-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-(1-benzylpiperazin-1-ium-1-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline CAS Name: 4-methyl-2-[1-(phenylmethyl)-1-piperazin-1-iumyl]-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-(1-benzylpiperazin-1-ium-1-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-(1-benzylpiperazin-1-ium-1-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline Formula: C20H27N4+ MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)[N+]3(CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)[N+]3(CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N4/c1-16-18-9-5-6-10-19(18)23-20(22-16)24(13-11-21-12-14-24)15-17-7-3-2-4-8-17/h2-4,7-8,21H,5-6,9-15H2,1H3/q+1