(4S)-7-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4S)-7-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4S)-7-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H29N3+2 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C[NH2+]C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)[C@@H](C[NH2+]C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3/c1-17-7-8-20-19(13-17)14-22-15-21(20)24-11-9-23(10-12-24)16-18-5-3-2-4-6-18/h2-8,13,21-22H,9-12,14-16H2,1H3/p+2/t21-/m1/s1