3-[(phenylmethyl)amino]-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[(phenylmethyl)amino]-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[(phenylmethyl)amino]-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N3/c1-2-8-19-17-12-7-6-11-16(17)18(13-21)20(23-19)22-14-15-9-4-3-5-10-15/h3-5,9-10H,2,6-8,11-12,14H2,1H3,(H,22,23)/p+1