2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-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)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-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)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CC[NH+](CC2CCO)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)N1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C24H39N3O/c1-20(2)26-12-9-23(10-13-26)27-15-14-25(19-24(27)11-16-28)18-21(3)17-22-7-5-4-6-8-22/h4-8,17,20,23-24,28H,9-16,18-19H2,1-3H3/p+1/b21-17+/t24-/m0/s1