2-chloranyl-4-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-chloranyl-4-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-3-[ethyl(4-pyridylmethyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=CC(=C(C(=C3)Cl)O)OC

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C(=C3)Cl)O)OC

InChI

InChI=1S/C21H28ClN3O2/c1-3-25(14-16-6-8-23-9-7-16)18-5-4-10-24(15-18)13-17-11-19(22)21(26)20(12-17)27-2/h6-9,11-12,18,26H,3-5,10,13-15H2,1-2H3/p+1/t18-/m0/s1