[1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methyl-butanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methyl-butanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methyl-butanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methyl-1-oxobutyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methylbutanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-[3-(dimethylamino)phenoxy]-3-methyl-butanoyl]-4-piperidyl]ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)[NH3+])OC2=CC=CC(=C2)N(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)[NH3+])OC2=CC=CC(=C2)N(C)C

InChI

InChI=1S/C18H29N3O2/c1-13(2)17(18(22)21-10-8-14(19)9-11-21)23-16-7-5-6-15(12-16)20(3)4/h5-7,12-14,17H,8-11,19H2,1-4H3/p+1/t17-/m0/s1