(3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(2-methoxyethyl)-5-pyrimidinyl]methyl]-N-methyl-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: [2-(2-methoxyethyl)pyrimidin-5-yl]methyl-methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(N=C1)CCOC)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CN=C(N=C1)CCOC)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O/c1-26(18-21-16-24-23(25-17-21)12-15-28-2)22-11-7-14-27(19-22)13-6-10-20-8-4-3-5-9-20/h3-5,8-9,16-17,22H,6-7,10-15,18-19H2,1-2H3/p+1/t22-/m0/s1