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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(1S)-1-phenylethyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(1S)-1-phenylethyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(1S)-1-phenylethyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(1S)-1-phenylethyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(1S)-1-phenylethyl]piperidin-1-ium-4-yl]methanone Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O/c1-18(19-7-3-2-4-8-19)24-14-12-21(13-15-24)23(26)25-16-11-20-9-5-6-10-22(20)17-25/h2-10,18,21H,11-17H2,1H3/p+1/t18-/m0/s1