2-[(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-4-(6-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H38N4O+2 MolecularWeight: 398.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C24H36N4O/c1-19(2)27-11-7-22(8-12-27)28-14-13-26(18-23(28)9-15-29)17-20-5-6-24-21(16-20)4-3-10-25-24/h3-6,10,16,19,22-23,29H,7-9,11-15,17-18H2,1-2H3/p+2/t23-/m0/s1