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

Systemtic Name: [1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(2-pyrazin-2-ylethyl)azanium Openeye Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(2-pyrazin-2-ylethyl)ammonium CAS Name: [1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-(2-pyrazin-2-ylethyl)azanium Traditional Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H31N5O/c33-27(32-16-10-21-3-1-2-4-23(21)20-32)22-5-7-26(8-6-22)31-17-11-24(12-18-31)29-13-9-25-19-28-14-15-30-25/h1-8,14-15,19,24,29H,9-13,16-18,20H2/p+1