(3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: (3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: (3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: (3S)-3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline Formula: C16H26N3+ MolecularWeight: 260.39774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2CC3=CC=CC=C3CN2

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C16H25N3/c1-18-7-4-8-19(10-9-18)13-16-11-14-5-2-3-6-15(14)12-17-16/h2-3,5-6,16-17H,4,7-13H2,1H3/p+1/t16-/m0/s1