[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C24H29N3O/c1-3-13-27-18(2)21(15-25-27)17-26-14-7-10-20(16-26)24(28)23-12-6-9-19-8-4-5-11-22(19)23/h4-6,8-9,11-12,15,20H,3,7,10,13-14,16-17H2,1-2H3/p+1/t20-/m0/s1