[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H29N3O2/c1-4-24-12-10-22-20(24)15-23-11-6-8-18(14-23)21(25)17-7-5-9-19(13-17)26-16(2)3/h5,7,9-10,12-13,16,18H,4,6,8,11,14-15H2,1-3H3/p+1/t18-/m0/s1