2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxy-4-methoxy-benzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H42N3O3+ MolecularWeight: 420.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C)OC

InChI

InChI=1S/C24H41N3O3/c1-5-30-24-16-20(6-7-23(24)29-4)17-25-13-14-27(22(18-25)10-15-28)21-8-11-26(12-9-21)19(2)3/h6-7,16,19,21-22,28H,5,8-15,17-18H2,1-4H3/p+1/t22-/m0/s1