2-[(2S)-1-(3-phenylpropyl)-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1-propyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C23H40N3O+ MolecularWeight: 374.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCN(C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H39N3O/c1-2-13-24-15-10-22(11-16-24)26-18-17-25(23(20-26)12-19-27)14-6-9-21-7-4-3-5-8-21/h3-5,7-8,22-23,27H,2,6,9-20H2,1H3/p+1/t23-/m0/s1