(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-methyl-N-[(2-phenyloxazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(2-phenyl-4-oxazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-methyl-[(2-phenyloxazol-4-yl)methyl]amine Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=COC(=N1)C2=CC=CC=C2)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CN(CC1=COC(=N1)C2=CC=CC=C2)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H29N3O/c1-27(16-22-18-29-25(26-22)19-8-3-2-4-9-19)23-12-7-13-28(17-23)24-14-20-10-5-6-11-21(20)15-24/h2-6,8-11,18,23-24H,7,12-17H2,1H3/p+1/t23-/m0/s1