N-[(E)-[(2R,5S)-1,2,5-trimethyl-1-prop-2-enyl-piperidin-1-ium-4-ylidene]amino]aniline

Systemtic Name: N-[(E)-[(2R,5S)-1,2,5-trimethyl-1-prop-2-enyl-piperidin-1-ium-4-ylidene]amino]aniline Openeye Name: N-[(E)-[(2R,5S)-1-allyl-1,2,5-trimethyl-piperidin-1-ium-4-ylidene]amino]aniline CAS Name: N-[(E)-[(2R,5S)-1,2,5-trimethyl-1-prop-2-enyl-4-piperidin-1-iumylidene]amino]aniline IUPAC Name: N-[(E)-[(2R,5S)-1,2,5-trimethyl-1-prop-2-enylpiperidin-1-ium-4-ylidene]amino]aniline Traditional Name: [(E)-[(2R,5S)-1-allyl-1,2,5-trimethyl-piperidin-1-ium-4-ylidene]amino]-phenyl-amine Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NNC2=CC=CC=C2)C(C[N+]1(C)CC=C)C

Isomeric SMILES

C[C@@H]1C/C(=N\NC2=CC=CC=C2)/[C@H](C[N+]1(C)CC=C)C

InChI

InChI=1S/C17H26N3/c1-5-11-20(4)13-14(2)17(12-15(20)3)19-18-16-9-7-6-8-10-16/h5-10,14-15,18H,1,11-13H2,2-4H3/q+1/b19-17+/t14-,15+,20?/m0/s1