2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(2-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(quinolin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(2-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N3O2/c1-29-23-7-4-5-19(15-23)16-27-13-12-26(18-22(27)11-14-28)17-21-10-9-20-6-2-3-8-24(20)25-21/h2-10,15,22,28H,11-14,16-18H2,1H3/p+1/t22-/m0/s1