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

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-4-(1-propyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C22H46N4O+2 MolecularWeight: 382.62684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCN(C(C2)CCO)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H44N4O/c1-4-10-23-11-5-20(6-12-23)25-15-16-26(22(18-25)9-17-27)21-7-13-24(14-8-21)19(2)3/h19-22,27H,4-18H2,1-3H3/p+2/t22-/m0/s1