[1-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]piperidin-4-yl]azanium Openeye Name: [1-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]-4-piperidyl]ammonium CAS Name: [1-[2-methyl-1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-4-piperidinyl]ammonium IUPAC Name: [1-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]piperidin-4-yl]azanium Traditional Name: [1-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl]-4-piperidyl]ammonium Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H27N3O/c1-18(2,17(22)20-10-8-16(19)9-11-20)21-12-7-14-5-3-4-6-15(14)13-21/h3-6,16H,7-13,19H2,1-2H3/p+2