2-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(E)-2-methylbut-2-enyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H29N2+ MolecularWeight: 285.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCCC(C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC[C@@H](C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H28N2/c1-3-16(2)13-20-11-6-9-19(15-20)21-12-10-17-7-4-5-8-18(17)14-21/h3-5,7-8,19H,6,9-15H2,1-2H3/p+1/b16-3+/t19-/m0/s1