[1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium

Systemtic Name: [1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Openeye Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium CAS Name: [1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Traditional Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium Formula: C29H35N4O+ MolecularWeight: 455.6144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H34N4O/c34-29(33-18-13-24-7-1-2-8-26(24)22-33)25-9-11-28(12-10-25)32-19-14-27(15-20-32)31-17-4-6-23-5-3-16-30-21-23/h1-3,5,7-12,16,21,27,31H,4,6,13-15,17-20,22H2/p+1