2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethylbenzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C23H40N3O+ MolecularWeight: 374.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C23H39N3O/c1-4-20-5-7-21(8-6-20)17-24-14-15-26(23(18-24)11-16-27)22-9-12-25(13-10-22)19(2)3/h5-8,19,22-23,27H,4,9-18H2,1-3H3/p+1/t23-/m0/s1