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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C23H40N3O2+ MolecularWeight: 390.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C23H39N3O2/c1-4-28-23-7-5-20(6-8-23)17-25-14-15-26(18-22(25)11-16-27)21-9-12-24(13-10-21)19(2)3/h5-8,19,21-22,27H,4,9-18H2,1-3H3/p+1/t22-/m0/s1