2-[(2S)-4-(naphthalen-1-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(naphthalen-1-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(1-naphthylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-naphthalenylmethyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(naphthalen-1-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(1-naphthylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H37N3O/c1-20(2)27-13-10-23(11-14-27)28-16-15-26(19-24(28)12-17-29)18-22-8-5-7-21-6-3-4-9-25(21)22/h3-9,20,23-24,29H,10-19H2,1-2H3/p+1/t24-/m0/s1