2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(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=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

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