(3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

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