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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(1-propyl-4-piperidinyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-yl]methanone Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H35N3O/c1-2-12-24-14-10-22(11-15-24)25-13-5-8-21(18-25)23(27)26-16-9-19-6-3-4-7-20(19)17-26/h3-4,6-7,21-22H,2,5,8-18H2,1H3/p+1/t21-/m0/s1