2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(E)-4-methylpent-2-enyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-4-methylpent-2-enyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(E)-4-methylpent-2-enyl]piperazin-4-ium-2-yl]ethanol Formula: C20H40N3O+ MolecularWeight: 338.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC[NH+]1CCN(C(C1)CCO)C2CCN(CC2)C(C)C

Isomeric SMILES

CC(C)/C=C/C[NH+]1CCN([C@H](C1)CCO)C2CCN(CC2)C(C)C

InChI

InChI=1S/C20H39N3O/c1-17(2)6-5-10-21-13-14-23(20(16-21)9-15-24)19-7-11-22(12-8-19)18(3)4/h5-6,17-20,24H,7-16H2,1-4H3/p+1/b6-5+/t20-/m0/s1