cyclopropylmethyl-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]cyclopent-2-en-1-yl]azanium

Systemtic Name: cyclopropylmethyl-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]cyclopent-2-en-1-yl]azanium Openeye Name: [(1S,4S)-4-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)cyclopent-2-en-1-yl]-(cyclopropylmethyl)ammonium CAS Name: cyclopropylmethyl-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-cyclopent-2-enyl]ammonium IUPAC Name: [(1S,4S)-4-(1-benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]-(cyclopropylmethyl)azanium Traditional Name: [(1S,4S)-4-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)cyclopent-2-en-1-yl]-(cyclopropylmethyl)ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C3CC(C=C3)[NH2+]CC4CC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)[C@H]3C[C@@H](C=C3)[NH2+]CC4CC4

InChI

InChI=1S/C21H27N3/c1-15-21(19-10-11-20(12-19)22-13-17-8-9-17)16(2)24(23-15)14-18-6-4-3-5-7-18/h3-7,10-11,17,19-20,22H,8-9,12-14H2,1-2H3/p+1/t19-,20-/m1/s1