2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C23H40N3O3+ MolecularWeight: 406.582

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O3/c1-4-29-23-15-19(5-6-22(23)28)16-24-12-13-26(21(17-24)9-14-27)20-7-10-25(11-8-20)18(2)3/h5-6,15,18,20-21,27-28H,4,7-14,16-17H2,1-3H3/p+1/t21-/m0/s1