[(3S)-1-isoquinolin-1-ylcarbonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-isoquinolin-1-ylcarbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(isoquinoline-1-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[1-isoquinolinyl(oxo)methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(isoquinoline-1-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(isoquinoline-1-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O/c1-26(17-14-19-8-3-2-4-9-19)21-11-7-16-27(18-21)24(28)23-22-12-6-5-10-20(22)13-15-25-23/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3/p+1/t21-/m0/s1