(4-methylpiperidin-1-yl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-methyl-1-piperidyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (4-methyl-1-piperidinyl)-[(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-methylpiperidino)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O/c1-21-9-18-27(19-10-21)25(29)23-8-5-14-28(20-23)24-12-16-26(17-13-24)15-11-22-6-3-2-4-7-22/h2-4,6-7,21,23-24H,5,8-20H2,1H3/p+2/t23-/m0/s1