3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]methanone Formula: C24H31N2O+ MolecularWeight: 363.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O/c1-19(20-7-3-2-4-8-20)17-25-14-11-22(12-15-25)24(27)26-16-13-21-9-5-6-10-23(21)18-26/h2-10,19,22H,11-18H2,1H3/p+1/t19-/m1/s1